3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one

C93H68ClF5N8O12 — CID 158568083

IUPAC3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
SMILESO=C(CCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccc(F)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2C(F)(F)F)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2F)no1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C24H17F3N2O3.C23H17ClN2O3.2C23H17FN2O3/c25-24(26,27)20-9-5-4-8-19(20)21-14-18(32-29-21)11-12-22(30)16-10-13-23(28-15-16)31-17-6-2-1-3-7-17;24-18-9-6-16(7-10-18)21-14-20(29-26-21)11-12-22(27)17-8-13-23(25-15-17)28-19-4-2-1-3-5-19;24-20-9-5-4-8-19(20)21-14-18(29-26-21)11-12-22(27)16-10-13-23(25-15-16)28-17-6-2-1-3-7-17;24-18-9-6-16(7-10-18)21-14-20(29-26-21)11-12-22(27)17-8-13-23(25-15-17)28-19-4-2-1-3-5-19/h1-10,13-15H,11-12H2;3*1-10,13-15H,11-12H2
InChIKeyHRSQLHOJHXIFPU-UHFFFAOYSA-N
MW1620.05 g/mol
LogP23.33
Rot. Bonds28

About 3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one

3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (PubChem CID 158568083) has the molecular formula C93H68ClF5N8O12 and a molecular weight of 1620.05 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
PubChem CID158568083
Molecular FormulaC93H68ClF5N8O12
Molecular Weight1620.05 g/mol
Exact Mass1618.46
IUPAC Name3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
SMILESO=C(CCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccc(F)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2C(F)(F)F)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2F)no1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C24H17F3N2O3.C23H17ClN2O3.2C23H17FN2O3/c25-24(26,27)20-9-5-4-8-19(20)21-14-18(32-29-21)11-12-22(30)16-10-13-23(28-15-16)31-17-6-2-1-3-7-17;24-18-9-6-16(7-10-18)21-14-20(29-26-21)11-12-22(27)17-8-13-23(25-15-17)28-19-4-2-1-3-5-19;24-20-9-5-4-8-19(20)21-14-18(29-26-21)11-12-22(27)16-10-13-23(25-15-16)28-17-6-2-1-3-7-17;24-18-9-6-16(7-10-18)21-14-20(29-26-21)11-12-22(27)17-8-13-23(25-15-17)28-19-4-2-1-3-5-19/h1-10,13-15H,11-12H2;3*1-10,13-15H,11-12H2
InChIKeyHRSQLHOJHXIFPU-UHFFFAOYSA-N
XLogP23.33
TPSA260.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms119
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001620.05
LogP ≤ 523.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (CID 158568083) is 3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is O=C(CCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccc(F)cc2)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2C(F)(F)F)no1)c1ccc(Oc2ccccc2)nc1.O=C(CCc1cc(-c2ccccc2F)no1)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?
The InChIKey is HRSQLHOJHXIFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3.C23H17ClN2O3.2C23H17FN2O3/c25-24(26,27)20-9-5-4-8-19(20)21-14-18(32-29-21)11-12-22(30)16-10-13-23(28-15-16)31-17-6-2-1-3-7-17;24-18-9-6-16(7-10-18)21-14-20(29-26-21)11-12-22(27)17-8-13-23(25-15-17)28-19-4-2-1-3-5-19;24-20-9-5-4-8-19(20)21-14-18(29-26-21)11-12-22(27)16-10-13-23(25-15-16)28-17-6-2-1-3-7-17;24-18-9-6-16(7-10-18)21-14-20(29-26-21)11-12-22(27)17-8-13-23(25-15-17)28-19-4-2-1-3-5-19/h1-10,13-15H,11-12H2;3*1-10,13-15H,11-12H2.
What are the key properties of 3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?
3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 1620.05 g/mol, XLogP of 23.33, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-phenoxy-3-pyridinyl)propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 158568083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).